Florian Matthes (neé Knoop)
Hello!
Publications & preprints
I publish my scientific work under my former name, Florian Knoop (FK below). See also my Google Scholar page for an up-to-date list.
- Halogen chains with one-dimensional semi-metallic electronic structure and Peierls physics in polymorphs of Na₄X₅ (X = I, Br, Cl) compounds, Y. Yin, N. Jena, FK, G. Garbarino, F. Tasnádi, F. Trybel, S. I. Simak, M. I. Katsnelson, A. Aslandukova, A. Aslandukov, L. Dubrovinsky, N. Dubrovinskaia, and I. A. Abrikosov, arXiv 2512.08349
- Anharmonic phonons, thermal expansion, and nuclear quantum effects in Zn, V. V. Ladygin, FK, C. M. Bernal-Choban, G. E. Granroth, and B. Fultz, Phys. Rev. Materials 9, 125001 (2025)
- Revisiting thermal transport in CuCl: First-principles calculations and machine learning force fields, A. Kundu, FK, and I. A. Abrikosov, Phys. Rev. B 112, 214306 (2025)
- High-pressure Mg₃Cl₇ synthesized in a diamond anvil cell as a polar metal with second-harmonic generation, Y. Yin, L. Dubrovinsky, F. Tasnádi, I. A. Abrikosov, A. Aslandukov, FK, et al., J. Am. Chem. Soc. 147, 32591 (2025)
- Roadmap on advancements of the FHI-aims software package, J. W. Abbott, C. M. Acosta, … FK, … et al., Electronic Structure (2025)
- Ab initio theory of the non-resonant Raman effect in crystals at finite temperature in comparison to experiment: The examples of GaN and BaZrS₃, FK, N. Benshalom, M. Menahem, P. Gartner, T. Salzillo, O. Yaffe, and O. Hellman, arXiv 2412.17711
- Elastic moduli and thermal conductivity of quantum materials at finite temperature, D. A. Folkner, Z. Chen, G. Barbalinardo, FK, and D. Donadio, J. Appl. Phys. 136, 221101 (2024)
- Vibrational properties differ between halide and chalcogenide perovskite semiconductors, and it matters for optoelectronic performance, K. Ye, M. Menahem, T. Salzillo, B. Zhao, S. Niu, FK, I. Sadeghi, O. Hellman, J. Ravichandran, R. Jaramillo, and O. Yaffe, Phys. Rev. Materials 8, 085402 (2024)
- TDEP: Temperature Dependent Effective Potentials, FK, N. Shulumba, A. Castellano, J. P. A. Batista, R. Farris, M. J. Verstraete, M. Heine, D. Broido, D. S. Kim, J. Klarbring, I. A. Abrikosov, S. I. Simak, and O. Hellman, J. Open Source Softw. 9 6150 (2024)
- Heat flux for semilocal machine-learning potentials, M. F. Langer, FK, C. Carbogno, M. Scheffler, and M. Rupp, Phys. Rev. B 108, L100302 (2023)
- Stress and heat flux via automatic differentiation, M. F. Langer, J. T. Frank, and FK, J. Chem. Phys. 159, 174105 (2023)
- Anharmonicity in thermal insulators: An analysis from first principles, FK, T. A. R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Lett. 130, 236301 (2023)
- Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation, FK, M. Scheffler, and C. Carbogno, Phys. Rev. B 107, 224304 (2023)
- High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content, D. Laniel, F. Trybel, B. Winkler, FK, T. Fedotenko, S. Khandarkhaeva, A. Aslandukova, T. Meier, S. Chariton, K. Glazyrin, V. Milman, V. Prakapenka, I. A. Abrikosov, L. Dubrovinsky, and N. Dubrovinskaia, Nat. Commun. 13, 6987 (2022)
- Heat transport in strongly anharmonic solids from first principles, FK, PhD thesis, Humboldt University (2022)
- FHI-vibes: Ab initio vibrational simulations, FK, T. A. R. Purcell, M. Scheffler, and C. Carbogno, J. Open Source Softw. 5 2671 (2020)
- Anharmonicity measure for materials, FK, T. A. R. Purcell, M. Scheffler, and C. Carbogno, Phys. Rev. Materials 4, 083809 (2020)